D
Douglas J. DeFrees
Researcher at University of California, Irvine
Publications - 32
Citations - 8003
Douglas J. DeFrees is an academic researcher from University of California, Irvine. The author has contributed to research in topics: Kinetic isotope effect & Molecular orbital. The author has an hindex of 19, co-authored 32 publications receiving 7378 citations.
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Molecular orbital theory of the properties of inorganic and organometallic compounds. 2. STO-NG basis sets for fourth-row main-group elements
William J. Pietro,Edward S. Blurock,Robert F. Hout,Warren J. Hehre,Douglas J. DeFrees,Robert F. Stewart +5 more
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The C4H7+ cation: a theoretical investigation
TL;DR: Extended basis set calculations, including electronic correlation, show that cyclobutyl and cyclopropylcarbinyl cation are equally stable isomers, and the saddle point connecting these isomers lies 0.6 kcal/mol above the minima.
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The separation of polarizability and inductive effects in gas- and solution-phase proton-transfer equilibriums
Robert W. Taft,M. Taagepera,J. L. M. Abbound,J. F. Wolf,Douglas J. DeFrees,Warren J. Hehre,John E. Bartmess,Robert T. McIver +7 more
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In support of anionic hyperconjugation. The versatile methyl group
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